SCHEMBL5237332

SCHEMBL5237332

CC(=O)OCCCCOCC1CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SCN9A Q15858 1/20 0.36
KMT2A Q03164 2/20 0.36
EPHX1 P07099 1/20 0.35
NAAA Q02083 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5232032 0.97 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
Hydrochloric Acid SCHEMBL27414981 0.91 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL5234710 0.87 NAAA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL1839983 0.85 NAAA (0.46) CPN1CPB2LMNAAPOBEC3AAPOBEC3G
SCHEMBL5237250 0.85 KMT2A (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL27271782 0.84 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL27271788 0.84 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
Hydrochloric Acid SCHEMBL28750161 0.83 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL29068162 0.81 KMT2A (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CPN1
SCHEMBL9732440 0.81 KMT2A (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed